9-(4-bromophenyl)-3-ethyl-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Chemical Structure Depiction of
9-(4-bromophenyl)-3-ethyl-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
9-(4-bromophenyl)-3-ethyl-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | 8174-1349 |
| Compound Name: | 9-(4-bromophenyl)-3-ethyl-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
| Molecular Weight: | 418.29 |
| Molecular Formula: | C18 H20 Br N5 O2 |
| Smiles: | CCN1C(c2c(nc3N(CC(C)Cn23)c2ccc(cc2)[Br])N(C)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9775 |
| logD: | 3.9775 |
| logSw: | -3.9767 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.646 |
| InChI Key: | FYBNUROCBVKXLZ-NSHDSACASA-N |